(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C16H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H12N2O2S |
| Smiles | Oc1c(/C=C(/C(N2c3ccccc3)=O)\NC2=S)cccc1 |
| InChI | InChI=1S/C16H12N2O2S/c19-14-9-5-4-6-11(14)10-13-15(20)18(16(21)17-13)12-7-2-1-3-8-12/h1-10,19H,(H,17,21) |
| InChIK | XKXFPZYLRIRUBX-UHFFFAOYSA-N |
| TotalMolweight | 296.349 |
| Molweight | 296.349 |
| MonoisotopicMass | 296.061948 |
| CLogP | 2.6312 |
| CLogS | -4.007 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.31037 |
| PolarSurfaceArea | 84.66 |
| Druglikeness | 2.7386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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